1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine

C15H17ClN2S — CID 763631

IUPAC1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESClc1cccc(N2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C15H17ClN2S/c16-13-3-1-4-14(11-13)18-8-6-17(7-9-18)12-15-5-2-10-19-15/h1-5,10-11H,6-9,12H2
InChIKeyMLSFHUXICJXGDL-UHFFFAOYSA-N
MW292.83 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine

1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 763631) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
PubChem CID763631
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC Name1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESClc1cccc(N2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C15H17ClN2S/c16-13-3-1-4-14(11-13)18-8-6-17(7-9-18)12-15-5-2-10-19-15/h1-5,10-11H,6-9,12H2
InChIKeyMLSFHUXICJXGDL-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine (CID 763631) is 1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine is Clc1cccc(N2CCN(Cc3cccs3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is MLSFHUXICJXGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-13-3-1-4-14(11-13)18-8-6-17(7-9-18)12-15-5-2-10-19-15/h1-5,10-11H,6-9,12H2.
What are the key properties of 1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 292.83 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 763631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).